./iterations/neb0_image06_iter89.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
	Site	int	1
	WyckoffPosition	int	-1
@end
@data
8 {} {0.469907570908 0.223195103115 0.490164518554} O1 1 1
14 {} {0.331110858181 0.223569645678 0.578050425002} Si1 2 1
14 {} {0.594659775085 0.321043549778 0.444697150631} Si2 3 1
8 {} {0.545749578519 0.470635384269 0.40844723202} O2 4 1
8 {} {0.325475703853 0.353441547238 0.679880281754} O3 5 1
14 {} {0.295049297384 0.515132248865 0.678032024533} Si3 6 1
14 {} {0.498079971393 0.621370891981 0.447654063503} Si4 7 1
1 {} {0.327049926398 0.100996337685 0.662512279847} H1 8 1
1 {} {0.215270103198 0.230922413882 0.484096233012} H2 9 1
1 {} {0.654411042368 0.269272028859 0.319538998021} H3 10 1
1 {} {0.689786782974 0.32978147544 0.55842391792} H4 11 1
1 {} {0.147789044026 0.540520519932 0.670734669756} H5 12 1
1 {} {0.353617252283 0.571156918143 0.80323537526} H6 13 1
1 {} {0.36698370557 0.793478602824 0.433443455627} H7 14 1
1 {} {0.505159360007 0.678895385495 0.307573758509} H8 15 1
1 {} {0.596422644392 0.694707780951 0.532478587752} H10 16 1
8 {} {0.363866414922 0.584443980754 0.545415977506} O 17 1
1 {} {0.32969706779 0.749954160799 0.486679045227} H14 18 1
@end
@Columns Cell
	Constraints	string	{a b c A B G}
	Origin	int	{{0 0 0}}
	Parameters	double	{{10.0 10.0 10.0 90.0 90.0 90.0}}
	PrimitiveData	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	RotationMatrix	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	SpaceGroup	string	P1
	SpaceGroupNumber	int	1
	ToCartesians	double	{{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}}
	ToFractionals	double	{{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}}
@end
@data
{a b c A B G} {0 0 0} {10 10 10 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{10 0 0} {0 10 0} {0 0 10}} {{0.1 0 0} {0 0.1 0} {0 0 0.1}}
@end
@Columns AsymmetricBond
	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
@end
@data
1 0 0 0
2 0 0 0
14 6 0 0
16 5 0 2
15 6 0 0
4 1 0 0
3 2 0 0
7 1 0 0
8 1 0 0
6 3 0 0
5 4 0 0
10 2 0 0
9 2 0 0
@end
@Columns Bond
	AsymmetricBond	reference	AsymmetricBond
	Atom1	reference	Atom
	Atom2	reference	Atom
	CellOffset2	int	{{0 0 0}}
	Key	int	0
@end
@data
0 0 1 {0 0 0} 0
1 0 2 {0 0 0} 0
2 14 6 {0 0 0} 0
3 16 5 {0 0 0} 0
4 15 6 {0 0 0} 0
5 4 1 {0 0 0} 0
6 3 2 {0 0 0} 0
7 7 1 {0 0 0} 0
8 8 1 {0 0 0} 0
9 6 3 {0 0 0} 0
10 5 4 {0 0 0} 0
11 10 2 {0 0 0} 0
12 9 2 {0 0 0} 0
@end
@Columns Subset
	Color	string	{{#65d9f0}}
	Criteria	string	{{}}
	DisplayLine	int	0
	IeqJ	int	1
	IgtJ	int	0
	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end